UCSF

ZINC32202711

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 1.77 -4.69 2 2 0 40 194.274 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0117831A1; EP0122213A1; EP0122865A1; EP0208353A1; EP0273990A1; EP0273990B1; EP0577836A1; EP0883032A3; US3979462; US4414348; US4417017; US4463170; US4537952; US4774293; US4833209; US5157087; WO1993012933A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )